Vitas-M small molecule compound
(2E)-2-cyano-N-(3-methoxypropyl)-3-{3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}prop-2-enamide
Catalog ID
STK702710
SMILES COCCCNC(=O)/C(=C/c1cn(nc1c1ccc(c(c1)C)OCCC(C)C)c1ccccc1)/C#N
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H34N4O3 MW 486.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N4O3/c1-21(2)13-16-36-27-12-11-23(17-22(27)3)28-25(20-33(32-28)26-9-6-5-7-10-26)18-24(19-30)29(34)31-14-8-15-35-4/h5-7,9-12,17-18,20-21H,8,13-16H2,1-4H3,(H,31,34)/b24-18+InChIKey
WIGCZHHOUVSVEB-HKOYGPOVSA-NSynonyms
(2E)2cyanoN(3methoxypropyl)3(3(3methyl4(3methylbutoxy)phenyl)1phenyl1Hpyrazol4yl)prop2enamide
(E)2cyano3(3(4(isopentyloxy)3methylphenyl)1phenyl1Hpyrazol4yl)N(3methoxypropyl)acrylamide
(E)2CYANON(3METHOXYPROPYL)3(3(3METHYL4(3METHYLBUTOXY)PHENYL)1PHENYLPYRAZOL4YL)PROP2ENAMIDE
CC1=C(C=CC(=C1)C2=NN(C=C2C=C(C#N)C(=O)NCCCOC)C3=CC=CC=C3)OCCC(C)C
COCCCNC(=O)C(=Cc1cn(nc1c1ccc(c(c1)C)OCCC(C)C)c1ccccc1)C#N
InChI=1SC29H34N4O3c121(2)13163627121123(1722(27)3)2825(2033(3228)2696571026)1824(1930)29(34)3114815354h5791217182021H81316H214H3(H3134)b2418+
MFCD02992312
ZINC000013801736
ZINC13801736
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